[4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate

C17H15IO3 — CID 144714555

IUPAC[4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate
SMILESC=C(CI)C(=O)Oc1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H15IO3/c1-12(11-18)17(19)21-16-9-5-14(6-10-16)13-3-7-15(20-2)8-4-13/h3-10H,1,11H2,2H3
InChIKeyYJBSPULREAATED-UHFFFAOYSA-N
MW394.21 g/mol
LogP4.26
Rot. Bonds5

About [4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate

[4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate (PubChem CID 144714555) has the molecular formula C17H15IO3 and a molecular weight of 394.21 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate
PubChem CID144714555
Molecular FormulaC17H15IO3
Molecular Weight394.21 g/mol
Exact Mass394.01
IUPAC Name[4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate
SMILESC=C(CI)C(=O)Oc1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H15IO3/c1-12(11-18)17(19)21-16-9-5-14(6-10-16)13-3-7-15(20-2)8-4-13/h3-10H,1,11H2,2H3
InChIKeyYJBSPULREAATED-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146704143
ethane;[4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]phenyl] 2-methylidenebutanoate;2-methylprop-2-enal
CID 144736968
5-O-acetyl 1-O-(4-methoxyphenyl) 2-methylidenepentanedioate
CID 87706803
[4-[2-methoxy-4-(4-methoxyphenyl)-5-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 144772021
[3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 126585525
2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
CID 149008109
[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]-5-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146669142
[4-(4-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 67394366
[2-fluoro-4-(4-methoxyphenyl)phenyl] 2-methylprop-2-enoate;formaldehyde;2-methylprop-1-ene
CID 145389577
(4-methoxyphenyl) 2-(2-methylprop-2-enoyloxymethyl)-3-oxoprop-2-enoate
CID 141076159
[4-[4-(4-methoxyphenyl)phenyl]phenyl] 2-methylbutanoate
CID 22974655
[4-[3-fluoro-4-[3-fluoro-4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 148814539

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate?
The IUPAC name of [4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate (CID 144714555) is [4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate.
What is the SMILES notation for [4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate?
The canonical SMILES for [4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate is C=C(CI)C(=O)Oc1ccc(-c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate?
The InChIKey is YJBSPULREAATED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IO3/c1-12(11-18)17(19)21-16-9-5-14(6-10-16)13-3-7-15(20-2)8-4-13/h3-10H,1,11H2,2H3.
What are the key properties of [4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate?
[4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate has a molecular weight of 394.21 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)phenyl] 2-(iodomethyl)prop-2-enoate is sourced from PubChem (CID 144714555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).